[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate

C17H25NO4 — CID 24978790

IUPAC[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OC(C)C(=O)NC2CCCCC2C)c(C)o1
InChIInChI=1S/C17H25NO4/c1-10-7-5-6-8-15(10)18-16(19)13(4)22-17(20)14-9-11(2)21-12(14)3/h9-10,13,15H,5-8H2,1-4H3,(H,18,19)
InChIKeyKGEFZZVTWCTPPL-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.14
Rot. Bonds4

About [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate

[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 24978790) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
PubChem CID24978790
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OC(C)C(=O)NC2CCCCC2C)c(C)o1
InChIInChI=1S/C17H25NO4/c1-10-7-5-6-8-15(10)18-16(19)13(4)22-17(20)14-9-11(2)21-12(14)3/h9-10,13,15H,5-8H2,1-4H3,(H,18,19)
InChIKeyKGEFZZVTWCTPPL-UHFFFAOYSA-N
XLogP3.14
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate (CID 24978790) is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OC(C)C(=O)NC2CCCCC2C)c(C)o1.
What is the InChIKey of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is KGEFZZVTWCTPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-10-7-5-6-8-15(10)18-16(19)13(4)22-17(20)14-9-11(2)21-12(14)3/h9-10,13,15H,5-8H2,1-4H3,(H,18,19).
What are the key properties of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate?
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 24978790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).